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git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@2902 f3b2605a-c512-4ea7-a41b-209d697bcdaa

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sjplimp
2009-06-26 18:23:16 +00:00
parent 3df8b6e355
commit 2d5a69385a
32 changed files with 2015 additions and 781 deletions
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5
src/fix_press_berendsen.cpp
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@ -234,15 +234,14 @@ void FixPressBerendsen::init()
{
if (domain->triclinic)
error->all("Cannot use fix press/berendsen with triclinic box");
if (atom->mass == NULL)
error->all("Cannot use fix press/berendsen without per-type mass defined");
for (int i = 0; i < modify->nfix; i++)
if (strcmp(modify->fix[i]->style,"deform") == 0) {
int *dimflag = ((FixDeform *) modify->fix[i])->dimflag;
if ((p_flag[0] && dimflag[0]) || (p_flag[1] && dimflag[1]) ||
(p_flag[2] && dimflag[2]))
error->all("Cannot use fix press/berendsen and fix deform on same dimension");
error->all("Cannot use fix press/berendsen and "
"fix deform on same dimension");
}
// set temperature and pressure ptrs